Ecosyste.ms: Issues

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GitHub / JecaTosovic/WaterNetworkAnalysis issues and pull requests

#67 - Bump scipy from 1.13.1 to 1.14.1 in the pip-version group across 1 directory

Pull Request - State: open - Opened by dependabot[bot] 30 days ago
Labels: dependencies, python

#66 - Bump pypa/gh-action-pypi-publish from 1.9.0 to 1.10.0 in the actions-version group

Pull Request - State: open - Opened by dependabot[bot] 30 days ago
Labels: dependencies, github_actions

#65 - Bump pypa/gh-action-pypi-publish from 1.8.14 to 1.9.0 in the actions-version group

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago
Labels: dependencies, github_actions

#64 - Bump numpy from 1.26.4 to 2.0.0

Pull Request - State: open - Opened by dependabot[bot] 3 months ago
Labels: dependencies, python

#63 - Bump scipy from 1.13.1 to 1.14.0 in the pip-version group

Pull Request - State: closed - Opened by dependabot[bot] 3 months ago - 1 comment
Labels: dependencies, python

#62 - Bump the pip-version group with 2 updates

Pull Request - State: closed - Opened by dependabot[bot] 4 months ago
Labels: dependencies, python

#61 - Bump conservedwatersearch from 0.3.0 to 0.4.0 in the pip-version group

Pull Request - State: closed - Opened by dependabot[bot] 6 months ago
Labels: dependencies, python

#60 - Release v0.4.0

Pull Request - State: closed - Opened by DomFijan 6 months ago

#59 - Bump scipy from 1.12.0 to 1.13.0

Pull Request - State: closed - Opened by dependabot[bot] 6 months ago
Labels: dependencies, python

#58 - Bump numpy from 1.26.3 to 1.26.4

Pull Request - State: closed - Opened by dependabot[bot] 7 months ago
Labels: dependencies, python

#57 - stop forcing topology be a str in align

Pull Request - State: closed - Opened by DomFijan 7 months ago

#56 - Add pre commit

Pull Request - State: closed - Opened by DomFijan 7 months ago

#55 - Bump numpy from 1.26.2 to 1.26.3

Pull Request - State: closed - Opened by dependabot[bot] 8 months ago
Labels: dependencies, python

#54 - Bump scipy from 1.11.4 to 1.12.0

Pull Request - State: closed - Opened by dependabot[bot] 8 months ago
Labels: dependencies, python

#53 - Bump actions/setup-python from 4 to 5

Pull Request - State: closed - Opened by dependabot[bot] 9 months ago
Labels: dependencies, github_actions

#52 - Bump mdanalysis from 2.6.1 to 2.7.0

Pull Request - State: closed - Opened by dependabot[bot] 9 months ago
Labels: dependencies, python

#51 - Bump scipy from 1.11.3 to 1.11.4

Pull Request - State: closed - Opened by dependabot[bot] 10 months ago
Labels: dependencies, python

#50 - Bump numpy from 1.26.1 to 1.26.2

Pull Request - State: closed - Opened by dependabot[bot] 10 months ago
Labels: dependencies, python

#49 - Bump conda-incubator/setup-miniconda from 2 to 3

Pull Request - State: closed - Opened by dependabot[bot] 10 months ago
Labels: dependencies, github_actions

#48 - Bump conservedwatersearch from 0.2.0 to 0.3.0

Pull Request - State: closed - Opened by dependabot[bot] 11 months ago - 2 comments
Labels: dependencies, python

#47 - Bump numpy from 1.26.0 to 1.26.1

Pull Request - State: closed - Opened by dependabot[bot] 11 months ago
Labels: dependencies, python

#46 - fix link in docs

Pull Request - State: closed - Opened by DomFijan 11 months ago

#45 - Release v0.3.0

Pull Request - State: closed - Opened by DomFijan 12 months ago

#44 - Python3.12

Pull Request - State: closed - Opened by DomFijan 12 months ago

#43 - PyMOL plugin docs

Pull Request - State: closed - Opened by DomFijan 12 months ago

#42 - Update water extraction

Pull Request - State: closed - Opened by DomFijan 12 months ago

#41 - update rtd requirements

Pull Request - State: closed - Opened by JecaTosovic 12 months ago

#40 - Bump actions/checkout from 3 to 4

Pull Request - State: closed - Opened by dependabot[bot] almost 1 year ago
Labels: dependencies, github_actions

#39 - Bump conservedwatersearch from 0.1.2 to 0.2.0

Pull Request - State: closed - Opened by dependabot[bot] almost 1 year ago - 3 comments
Labels: dependencies, python

#38 - Bump numpy from 1.25.2 to 1.26.0

Pull Request - State: closed - Opened by dependabot[bot] almost 1 year ago
Labels: dependencies, python

#37 - Bump scipy from 1.10.0 to 1.11.3

Pull Request - State: closed - Opened by dependabot[bot] almost 1 year ago
Labels: dependencies, python

#36 - Fix RTD API docs

Pull Request - State: closed - Opened by DomFijan about 1 year ago

#35 - Update requirements

Pull Request - State: closed - Opened by DomFijan about 1 year ago

#34 - Release v0.2.0

Pull Request - State: closed - Opened by DomFijan about 1 year ago

#33 - Bump mdanalysis from 2.4.0 to 2.6.1

Pull Request - State: closed - Opened by dependabot[bot] about 1 year ago
Labels: dependencies, python

#32 - Align with NEP29

Pull Request - State: closed - Opened by DomFijan about 1 year ago

#31 - Update ci

Pull Request - State: closed - Opened by DomFijan about 1 year ago

#30 - Bump wget from 3.0.0 to 3.2

Pull Request - State: closed - Opened by dependabot[bot] about 1 year ago
Labels: dependencies, python

#29 - Bump mdanalysis from 2.4.0 to 2.6.0

Pull Request - State: closed - Opened by dependabot[bot] about 1 year ago - 1 comment
Labels: dependencies, python

#28 - Bump numpy from 1.23 to 1.25.2

Pull Request - State: closed - Opened by dependabot[bot] about 1 year ago
Labels: dependencies, python

#27 - Bump conservedwatersearch from 0.1.0 to 0.1.2

Pull Request - State: closed - Opened by dependabot[bot] about 1 year ago
Labels: dependencies, python

#26 - Bump actions/setup-python from 3 to 4

Pull Request - State: closed - Opened by dependabot[bot] about 1 year ago
Labels: dependencies, github_actions

#25 - migrate to pyproject.toml

Pull Request - State: closed - Opened by DomFijan about 1 year ago

#24 - Fix failing RTD builds

Pull Request - State: closed - Opened by DomFijan about 1 year ago

#23 - Update/dependabot

Pull Request - State: closed - Opened by DomFijan about 1 year ago

#22 - Update/oxygen density maps

Pull Request - State: closed - Opened by DomFijan about 1 year ago - 1 comment

#21 - Fix/align

Pull Request - State: closed - Opened by DomFijan about 1 year ago

#20 - Release v0.1.2

Pull Request - State: closed - Opened by JecaTosovic over 1 year ago

#19 - Release v0.1.2

Pull Request - State: closed - Opened by JecaTosovic over 1 year ago

#18 - Use topology information to find hydrogens in water

Pull Request - State: closed - Opened by JecaTosovic over 1 year ago

#17 - Clustering waters trouble

Issue - State: closed - Opened by GregorySchwing over 1 year ago - 6 comments

#16 - Error running test example

Issue - State: closed - Opened by GattiMh over 1 year ago - 3 comments

#15 - Release v0.1.1

Pull Request - State: closed - Opened by DomFijan over 1 year ago

#14 - Feat/update install docs for conda

Pull Request - State: closed - Opened by DomFijan over 1 year ago

#13 - remove python 3.7 support

Pull Request - State: closed - Opened by DomFijan over 1 year ago

#12 - Update requirements with versions

Pull Request - State: closed - Opened by DomFijan over 1 year ago

#11 - Update exception for unsupported topology file types for alignment

Pull Request - State: closed - Opened by DomFijan over 1 year ago

#10 - calculate_oxygen_density_map functions needs to be importet for the example

Issue - State: closed - Opened by Eduardneu over 1 year ago - 1 comment

#8 - Exception: cannot center the protein

Issue - State: closed - Opened by Eduardneu over 1 year ago - 1 comment

#6 - Fix align method for every>1

Pull Request - State: closed - Opened by JecaTosovic over 1 year ago

#5 - Release/0.1.0

Pull Request - State: closed - Opened by JecaTosovic over 1 year ago

#4 - Update numpy requirement from <1.24 to <1.25

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 5 comments
Labels: dependencies

#3 - Refactoring for beta and port

Pull Request - State: closed - Opened by DomFijan over 1 year ago

#2 - Release v0.0.1

Pull Request - State: closed - Opened by JecaTosovic over 2 years ago

#1 - Create LICENSE

Pull Request - State: closed - Opened by JecaTosovic over 2 years ago